Information card for entry 7225077

Structure parameters

• Formula: C20 H21 N4 O2.5
• Calculated formula: C20 H21 N4 O2.5
• SMILES: O=C1Nc2c(C31c1c(n[nH]c1C)NC1=C3C(=O)CC(C1)(C)C)cccc2.O
• Title of publication: Synthetic, mechanistic and kinetic studies on the organo-nanocatalyzed synthesis of oxygen and nitrogen containing spiro compounds under ultrasonic conditions
• Authors of publication: Singh, Nongthombam Geetmani; Lily, Makroni; Devi, Shougaijam Premila; Rahman, Noimur; Ahmed, Aziz; Chandra, Asit K.; Nongkhlaw, Rishanlang
• Journal of publication: Green Chem.
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 15
• Pages of publication: 4216
• a: 15.4558 ± 0.0007 Å
• b: 18.7716 ± 0.001 Å
• c: 26.327 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7638.3 ± 0.6 ų
• Cell temperature: 294.3 ± 0.5 K
• Ambient diffraction temperature: 294.3 ± 0.5 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0955
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0392
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No